tert-butyl 2-[(3-methylcyclopentyl)amino]acetate

C12H23NO2 — CID 58369136

IUPACtert-butyl 2-[(3-methylcyclopentyl)amino]acetate
SMILESCC1CCC(NCC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H23NO2/c1-9-5-6-10(7-9)13-8-11(14)15-12(2,3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyBIXHOKMBZFUBKI-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds3

About tert-butyl 2-[(3-methylcyclopentyl)amino]acetate

tert-butyl 2-[(3-methylcyclopentyl)amino]acetate (PubChem CID 58369136) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl 2-[(3-methylcyclopentyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3-methylcyclopentyl)amino]acetate
PubChem CID58369136
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl 2-[(3-methylcyclopentyl)amino]acetate
SMILESCC1CCC(NCC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H23NO2/c1-9-5-6-10(7-9)13-8-11(14)15-12(2,3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyBIXHOKMBZFUBKI-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
CID 115653280
tert-butyl 3-[(4-methylcyclohexyl)amino]propanoate
CID 103268828
tert-butyl 2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetate
CID 81467364
tert-butyl N-methyl-N-[2-[(3-methylcyclopentyl)amino]ethyl]carbamate
CID 103698942
tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate
CID 63243388
tert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]-5-methylpiperidine-1-carboxylate
CID 146609548
tert-butyl N-methyl-N-[3-[(3-methylcyclopentyl)amino]propyl]carbamate
CID 103699060
tert-butyl 2-[(4-phenylcyclohexyl)amino]acetate
CID 13312583
tert-butyl (2R)-2-[(3-methylcyclopentyl)amino]propanoate
CID 103903777
tert-butyl 2-[(2-methyloxolan-3-yl)amino]acetate
CID 82718888
tert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
CID 75444294
tert-butyl 2-[(1-propan-2-ylpyrrolidin-3-yl)amino]acetate
CID 81462946

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-methylcyclopentyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(3-methylcyclopentyl)amino]acetate (CID 58369136) is tert-butyl 2-[(3-methylcyclopentyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(3-methylcyclopentyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(3-methylcyclopentyl)amino]acetate is CC1CCC(NCC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-[(3-methylcyclopentyl)amino]acetate?
The InChIKey is BIXHOKMBZFUBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-5-6-10(7-9)13-8-11(14)15-12(2,3)4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of tert-butyl 2-[(3-methylcyclopentyl)amino]acetate?
tert-butyl 2-[(3-methylcyclopentyl)amino]acetate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-methylcyclopentyl)amino]acetate is sourced from PubChem (CID 58369136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).